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Messages - Sebas

2
MS-DIAL / Re: GNPS export function
In addition to my question from yesterday, can we export a * .MGF file and a peaktable * .csv or * .txt using spectra from the "MS2 acquired" filter?
3
MS-DIAL / GNPS export function
Dear MS_dial developer,

I have a question about the GNPS export function.

When I use the "export GNPS" function, I have:
- the peak table
- the MGF file
I do not understand why I don't find all the IDs of the peak table in the MGF file. I took an example here (Présentation1.pdf) where I have the IDs 9,10,11,15, 26,34 which are present in the peaktable. However in the MGF file, the ID 15 and 26 are not present. If it is because IDs 15 and 26 are not MSMS data, can we create an MGF file corresponding exactly to the peak table?

Best regards community,
4
MS-DIAL / Lipidomique Database
Dear Ms_Dial developers,

First of all I wish you a very happy new year 2020.
I have been using MS_dial for a few days for lipidomics in LC-MS in DDA mode using the fiehn method. However, I modified the HPLC method. I reduced the flow rate to 250 µl / min. So the method is longer than the original method.
- Is it possible to replace the original retention times automatically on the lipidomic database ?
If yes, how can I do it?

Overall, how can I predict retention times from your database with my method that are very close to your method?

Have a good day

Sebas